![(3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione structure](/static/products/958/958950-97-5.png)
(3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
TL;DR: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione (CAS 958950-97-5) is a chemical compound with molecular formula C31H23ClN2O4 and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,9aR,9bS)-8-benzoyl-4-(4-chlorobenzoyl)-2-(4-methylphenyl)-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-1,3-dione
Also Known As: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione, (3aR,4S,9aR,9bS)-8-Benzoyl-4-(4-chloro-benzoyl)-2-p-tolyl-3a,4,9a,9b-tetrahydro-pyrrolo[3,4-a]indolizine-1,3-dione, (3aR,4S,9aR,9bS)-8-benzoyl-4-(4-chlorobenzoyl)-2-(4-methylphenyl)-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-1,3-dione, (3aR,4S,9aR,9bS)-8-benzoyl-4-(4-chlorobenzoyl)-2-(p-tolyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
| Molecular Formula | C31H23ClN2O4 |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 5.02632 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.13464 |
| Heavy Atoms | 38 |
| Complexity | 1526.309 |
Chemical Identifiers
| CAS Number | 958950-97-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C(C=CN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6 |
Product Overview
(3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione (CAS 958950-97-5), with molecular formula C31H23ClN2O4 and molecular weight 522.13 g/mol. IUPAC: (3aR,4S,9aR,9bS)-8-benzoyl-4-(4-chlorobenzoyl)-2-(4-methylphenyl)-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-1,3-dione.
Chemical Property Profile of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Property Insights of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
The XLogP value of 5.02632 indicates that (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione. Following Lipinski's Rule of Five, (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione?
The CAS number of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione is 958950-97-5.
What is the molecular formula of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione?
The molecular formula of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione is C31H23ClN2O4.
What is the molecular weight of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione?
The molecular weight of (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione is 522.13 g/mol.
Where can I buy (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione?
You can request a quote for (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(4-methylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.